Measuring the 3J HNHa coupling by a simple 2D-intra-HNCA IP/AP-E.COSY with simultaneous encoding of 15N chemical shift and 1J HaCa evolution

Juan M Lopez; Helena Maruenda

doi:10.1016/j.jmr.2021.107111

Measuring the ³J H^NH^a coupling by a simple 2D-intra-HNCA IP/AP-E.COSY with simultaneous encoding of ¹⁵N chemical shift and ¹J H^aC^a evolution

J Magn Reson. 2022 Feb:335:107111. doi: 10.1016/j.jmr.2021.107111. Epub 2021 Dec 18.

Authors

Juan M Lopez¹, Helena Maruenda²

Affiliations

¹ Pontificia Universidad Católica del Perú, Departamento de Ciencias - Química, CERMN, Av. Universitaria 1801, Lima 32, Peru. Electronic address: juan.lopez@pucp.edu.pe.
² Pontificia Universidad Católica del Perú, Departamento de Ciencias - Química, CERMN, Av. Universitaria 1801, Lima 32, Peru.

PMID: 34959128
DOI: 10.1016/j.jmr.2021.107111

Abstract

The ³J coupling values are commonly used in biomolecular NMR to extract structural information. Here we present a novel intra HNCA IP/AP E.COSY pulse sequence that allows to measure ³J H^NH^a coupling constants by a simple and rapid two-dimensional ¹H-¹⁵N correlation experiment where the ¹⁵N frequency is encoded at the same time as the ¹J H^aC^a coupling evolution. The advantage with respect to the conventional 3D HNCA E.COSY pulse sequence is the dimensionality reduction to a simple 2D experiment, which decreases acquisition time and facilitates data analysis. The performance of this new experiment is demonstrated with an ubiquitin sample at 500 MHz.

Keywords: (3)J H(N)H(a) coupling; Biomolecular NMR; E.COSY; IP/AP; Intraresidual HNCA; Protein NMR; Simultaneous encoding.

Publication types

Research Support, Non-U.S. Gov't

MeSH terms

Nuclear Magnetic Resonance, Biomolecular / methods
Ubiquitin* / chemistry

Substances

Ubiquitin